LMFA01080039
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   -0.4308   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4308   -0.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308    0.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2989   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1673   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0357   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9042   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7726   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6410   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5094   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3778   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2462   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1147   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9831   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8516   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7199   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2988   -1.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1648   -2.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5842   -0.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4519   -0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3163   -0.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1840   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  4 17  1  0     0  0
 17 18  1  0     0  0
 16 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
M  END
> <LM_ID>
LMFA01080039

> <COMMON_NAME>
Methoxystearic acid

> <SYSTEMATIC_NAME>
2-Methoxyoctadecanoic acid

> <FORMULA>
C19H38O3

> <MASS>
314.28

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Methoxy fatty acids [FA0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IRFCIZSKPMLDRJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(22-2)19(20)21/h18H,3-17H2,1-2H3,(H,20,21)

> <SMILES>
C(C(OC)CCCCCCCCCCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 19:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21776028

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
469326

> <CITATION>
11374956

$$$$